N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide

C15H13ClN2O3S2 — CID 51042984

IUPACN-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCc1noc(-c2csc(S(=O)(=O)Nc3ccccc3Cl)c2)c1C
InChIInChI=1S/C15H13ClN2O3S2/c1-9-10(2)17-21-15(9)11-7-14(22-8-11)23(19,20)18-13-6-4-3-5-12(13)16/h3-8,18H,1-2H3
InChIKeyZQRUAWHEZRYBRM-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.47
Rot. Bonds4

About N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide

N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 51042984) has the molecular formula C15H13ClN2O3S2 and a molecular weight of 368.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID51042984
Molecular FormulaC15H13ClN2O3S2
Molecular Weight368.87 g/mol
Exact Mass368.01
IUPAC NameN-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCc1noc(-c2csc(S(=O)(=O)Nc3ccccc3Cl)c2)c1C
InChIInChI=1S/C15H13ClN2O3S2/c1-9-10(2)17-21-15(9)11-7-14(22-8-11)23(19,20)18-13-6-4-3-5-12(13)16/h3-8,18H,1-2H3
InChIKeyZQRUAWHEZRYBRM-UHFFFAOYSA-N
XLogP4.47
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 51044840
N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide
CID 53079419
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 51044020
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 51043991
N-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 53133654
4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide
CID 114141245
N-(2-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936284
N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060143
2-chloro-N-(2-chlorophenyl)-1,3-thiazole-5-sulfonamide
CID 43427443
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 53079363
N-(2-methoxyphenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51048851
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-fluorophenyl)furan-2-sulfonamide
CID 53085877

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 51042984) is N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is Cc1noc(-c2csc(S(=O)(=O)Nc3ccccc3Cl)c2)c1C.
What is the InChIKey of N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is ZQRUAWHEZRYBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S2/c1-9-10(2)17-21-15(9)11-7-14(22-8-11)23(19,20)18-13-6-4-3-5-12(13)16/h3-8,18H,1-2H3.
What are the key properties of N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 368.87 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 51042984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).